CAS RN: 63468-83-7

8-Methoxyjulolidine

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  • Product code: starshine_CAS63468-83-7
  • Purity/Analytical Methods: >99.0%
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63468-83-7 / 6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

Standard CAS: 63468-83-7 Multi CAS: No

Basic Information

CAS
63468-83-7
Multi CAS
No
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
InChI
InChI=1S/C13H17NO/c1-15-12-7-6-10-4-2-8-14-9-3-5-11(12)13(10)14/h6-7H,2-5,8-9H2,1H3
InChIKey
ZSKPEBROOQBZNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.85
TPSA
12.47

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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